N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide

C32H47Cl2NO3 — CID 5236290

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C32H47Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-29-22-19-18-21-26(29)32(37)35-28-24-27(33)25(2)30(34)31(28)36/h18-19,21-22,24,36H,3-17,20,23H2,1-2H3,(H,35,37)
InChIKeyQMSVXVFMDRULEE-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.90
Rot. Bonds20

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide (PubChem CID 5236290) has the molecular formula C32H47Cl2NO3 and a molecular weight of 564.64 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
PubChem CID5236290
Molecular FormulaC32H47Cl2NO3
Molecular Weight564.64 g/mol
Exact Mass563.29
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C32H47Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-29-22-19-18-21-26(29)32(37)35-28-24-27(33)25(2)30(34)31(28)36/h18-19,21-22,24,36H,3-17,20,23H2,1-2H3,(H,35,37)
InChIKeyQMSVXVFMDRULEE-UHFFFAOYSA-N
XLogP10.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619
(2-pentadecylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298599
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
CID 101298692
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
2-pentoxybenzohydrazide
CID 54793215

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide (CID 5236290) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide is CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide?
The InChIKey is QMSVXVFMDRULEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-29-22-19-18-21-26(29)32(37)35-28-24-27(33)25(2)30(34)31(28)36/h18-19,21-22,24,36H,3-17,20,23H2,1-2H3,(H,35,37).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide has a molecular weight of 564.64 g/mol, XLogP of 10.90, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide is sourced from PubChem (CID 5236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).